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Methyl 6-acetyl-7-hydroxy-2-oxo-2H-chromene-4-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl 6-acetyl-7-hydroxy-2-oxo-2H-chromene-4-carboxylate
SpectraBase Compound ID LWh9NAZO5ME
InChI InChI=1S/C13H10O6/c1-6(14)7-3-8-9(13(17)18-2)4-12(16)19-11(8)5-10(7)15/h3-5,15H,1-2H3
InChIKey TZWWRGUSYKMHNH-UHFFFAOYSA-N
Mol Weight 262.22 g/mol
Molecular Formula C13H10O6
Exact Mass 262.047738 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ITpEWTv6yI
Name Methyl 6-acetyl-7-hydroxy-2-oxo-2H-chromene-4-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.047738036 u
Formula C13H10O6
InChI InChI=1S/C13H10O6/c1-6(14)7-3-8-9(13(17)18-2)4-12(16)19-11(8)5-10(7)15/h3-5,15H,1-2H3
InChIKey TZWWRGUSYKMHNH-UHFFFAOYSA-N
SMILES C=1(C2=C(C=C(C(=C2)C(=O)C)O)OC(C1)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985122